Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50165264'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock protein HSP 90-alpha (Mus musculus)	BDBM50165264 (8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...) Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)c(Cl)c(OC)c1OC Show InChI InChI=1S/C19H23ClFN5O4S/c1-9(2)30-7-6-26-17-13(16(22)24-18(21)25-17)23-19(26)31-11-8-10(27-3)14(28-4)15(29-5)12(11)20/h8-9H,6-7H2,1-5H3,(H2,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha				J Med Chem 48: 2892-905 (2005) Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50165264 (8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...) Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)c(Cl)c(OC)c1OC Show InChI InChI=1S/C19H23ClFN5O4S/c1-9(2)30-7-6-26-17-13(16(22)24-18(21)25-17)23-19(26)31-11-8-10(27-3)14(28-4)15(29-5)12(11)20/h8-9H,6-7H2,1-5H3,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.67E+4	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Effective concentration of compound against heat shock protein HSP90 determined in normal brain cells				J Med Chem 48: 2892-905 (2005) Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50165264 (8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...) Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)c(Cl)c(OC)c1OC Show InChI InChI=1S/C19H23ClFN5O4S/c1-9(2)30-7-6-26-17-13(16(22)24-18(21)25-17)23-19(26)31-11-8-10(27-3)14(28-4)15(29-5)12(11)20/h8-9H,6-7H2,1-5H3,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Effective concentration of compound against heat shock protein HSP90 determined in normal heart cells				J Med Chem 48: 2892-905 (2005) Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50165264 (8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...) Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)c(Cl)c(OC)c1OC Show InChI InChI=1S/C19H23ClFN5O4S/c1-9(2)30-7-6-26-17-13(16(22)24-18(21)25-17)23-19(26)31-11-8-10(27-3)14(28-4)15(29-5)12(11)20/h8-9H,6-7H2,1-5H3,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Effective concentration of compound against heat shock protein HSP90 determined in normal lung cells				J Med Chem 48: 2892-905 (2005) Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6
					More data for this Ligand-Target Pair